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330847-76-2 | 6,7-DIHYDROXY-3,4-DIHYDRO-2H-ISOQUINOLIN-1-ONE
CAS No: 330847-76-2 Catalog No: AG00C65B MDL No:MFCD04114869
Product Description
Catalog Number:
AG00C65B
Chemical Name:
6,7-DIHYDROXY-3,4-DIHYDRO-2H-ISOQUINOLIN-1-ONE
CAS Number:
330847-76-2
MDL Number:
MFCD04114869
IUPAC Name:
6,7-dihydroxy-3,4-dihydro-2H-isoquinolin-1-one
InChI:
InChI=1S/C9H9NO3/c11-7-3-5-1-2-10-9(13)6(5)4-8(7)12/h3-4,11-12H,1-2H2,(H,10,13)
InChI Key:
CSYZCWLVFOWQRK-UHFFFAOYSA-N
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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